5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one

C14H26O2Si — CID 139985471

IUPAC5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
SMILESCC(C)[Si](OC1CC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-10(2)17(11(3)4,12(5)6)16-14-9-7-8-13(14)15/h7-8,10-12,14H,9H2,1-6H3
InChIKeyCSDKDZJQZJWCIO-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds5

About 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one

5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one (PubChem CID 139985471) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
PubChem CID139985471
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
SMILESCC(C)[Si](OC1CC=CC1=O)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-10(2)17(11(3)4,12(5)6)16-14-9-7-8-13(14)15/h7-8,10-12,14H,9H2,1-6H3
InChIKeyCSDKDZJQZJWCIO-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
The IUPAC name of 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one (CID 139985471) is 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one.
What is the SMILES notation for 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
The canonical SMILES for 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one is CC(C)[Si](OC1CC=CC1=O)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
The InChIKey is CSDKDZJQZJWCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10(2)17(11(3)4,12(5)6)16-14-9-7-8-13(14)15/h7-8,10-12,14H,9H2,1-6H3.
What are the key properties of 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyloxycyclopent-2-en-1-one is sourced from PubChem (CID 139985471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).